CID 135705460

1-(hex-5'-yn-1'-yl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C11H16N3O
SMILES
C[N+]1=C(N(C=C1)CCCCC#C)/C=N/O
InChI
InChI=1S/C11H15N3O/c1-3-4-5-6-7-14-9-8-13(2)11(14)10-12-15/h1,8-10H,4-7H2,2H3/p+1
InChIKey
VRSUPYLJJFTWLE-UHFFFAOYSA-O
Compound name
(NE)-N-[(1-hex-5-ynyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.12933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13661 146.1
[M+Na]+ 229.11855 155.6
[M-H]- 205.12205 145.4
[M+NH4]+ 224.16315 161.7
[M+K]+ 245.09249 147.2
[M+H-H2O]+ 189.12659 134.5
[M+HCOO]- 251.12753 163.2
[M+CH3COO]- 265.14318 190.0
[M+Na-2H]- 227.10400 151.1
[M]+ 206.12878 141.3
[M]- 206.12988 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.